SCHEMBL347200

SCHEMBL347200

O=S(=O)(Cl)N1CCC2(CCCC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 11/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 7/20 0.37
CYP2C9 P11712 7/20 0.35
TSHR P16473 6/20 0.35
SPR P35270 2/20 0.35
CYP3A4 P08684 7/20 0.34
CYP1A2 P05177 6/20 0.34
ALDH1A1 P00352 2/20 0.34
USP2 O75604 2/20 0.34
ALOX15 P16050 1/20 0.33
ACLY P53396 1/20 0.33
MAPK1 P28482 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8225935 0.98 TSHR (0.38) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL29649359 0.80 CA1 (0.52) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL1371388 0.78 CA1 (0.56) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL346463 0.76 CYP2D6 (0.39) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL346464 0.76 TSHR (0.37) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL8225915 0.76 CYP2D6 (0.39) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL15503069 0.76 CYP2D6 (0.56) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL29649313 0.75 CA1 (0.52) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL31548507 0.75 SPR (0.38) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR
SCHEMBL31011761 0.73 CYP2D6 (0.58) CYP2D6SMN1; SMN2CYP2C19CYP2C9TSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
EP-2520568-B1 Spirocyclic nitriles as inhibitors of protease SANOFI SA (FR) 2015-09-09 EP disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2014-03-13 US disclosed
US-8609681-B2 Spirocyclic nitriles as protease inhibitors SANOFI (FR) 2013-12-17 US disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2520568-A1 Spirocyclic nitriles as inhibitors of protease SANOFI (FR) 2012-11-07 EP disclosed
EP-2032535-B1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI SA (FR) 2012-08-01 EP disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2012-01-19 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-8039480-B2 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2011-10-18 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors SANOFI-AVENTIS (FR) 2009-11-05 US disclosed
EP-2032535-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS Sanofi-Aventis (FR) 2009-03-11 EP disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed
WO-2007137738-A1 SPIROCYCLIC NITRILES AS PROTEASE INHIBITORS SANOFI-AVENTIS (DE) 2007-12-06 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090275523-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885SMN1; SMN2 3535/4885CYP2C19 510/4885
US-20120015933-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885SMN1; SMN2 3535/4885CYP2C19 510/4885
US-20140073662-A1 Spirocyclic nitriles as protease inhibitors CTRL, SERPINB1, PREP CYP2D6 644/4885SMN1; SMN2 3535/4885CYP2C19 510/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.